CID 2839365

119294-97-2

Structural Information

Molecular Formula
C24H30N4O2
SMILES
CN1C2=CC=CC=C2N3C1=NC(=C3C(=O)OC)CN(C)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H30N4O2/c1-26(24-11-15-8-16(12-24)10-17(9-15)13-24)14-18-21(22(29)30-3)28-20-7-5-4-6-19(20)27(2)23(28)25-18/h4-7,15-17H,8-14H2,1-3H3
InChIKey
VWOPUHITHRWLTJ-UHFFFAOYSA-N
Compound name
methyl 2-[[1-adamantyl(methyl)amino]methyl]-4-methylimidazo[1,2-a]benzimidazole-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.23688 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.24416 195.0
[M+Na]+ 429.22610 205.8
[M+NH4]+ 424.27070 206.2
[M+K]+ 445.20004 199.7
[M-H]- 405.22960 194.6
[M+Na-2H]- 427.21155 191.6
[M]+ 406.23633 196.6
[M]- 406.23743 196.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.